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(Z)-N-(2-ethylphenyl)-3-(2-propoxyphenyl)prop-2-enamide,Canonical SMI

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摘 要: (Z)-N-(2-ethylphenyl)-3-(2-propoxyphenyl)prop-2-enamide,Canonical SMILES: CCCOC1=CC=CC=C1C=CC(=O)NC2=CC=CC=C2CC,Isomeric SMILES: CCCOC1=CC=CC=C1\C=C/C(=O)NC2=CC=CC=C2CC,InChI: InChI=1/C20H23NO2/c1-3-15-23-19-12-8-6-10-17(19)13-14-20(22)21-18-11-7-,5
[Synonyms]

[Structure]
 (Z)-N-(2-ethylphenyl)-3-(2-propoxyphenyl)prop-2-enamide,Canonical SMI

[ Properties Computed from Structure]
Molecular Weight309.40212 [g/mol]
Molecular FormulaC20H23NO2
XLogP4.7
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count7
Tautomer Count2
Exact Mass309.172879
MonoIsotopic Mass309.172879
Topological Polar Surface Area38.3
Heavy Atom Count23
Formal Charge0
Complexity380
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count1
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (Z)-N-(2-ethylphenyl)-3-(2-propoxyphenyl)prop-2-enamide
Canonical SMILES: CCCOC1=CC=CC=C1C=CC(=O)NC2=CC=CC=C2CC
Isomeric SMILES: CCCOC1=CC=CC=C1\C=C/C(=O)NC2=CC=CC=C2CC
InChI: InChI=1/C20H23NO2/c1-3-15-23-19-12-8-6-10-17(19)13-14-20(22)21-18-11-7-
5-9-16(18)4-2/h5-14H,3-4,15H2,1-2H3,(H,21,22)/b14-13-/f/h21H

 
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